diethoxyphosphorylmethyl fluoromethanesulfonate

C6H14FO6PS — CID 141114220

IUPACdiethoxyphosphorylmethyl fluoromethanesulfonate
SMILESCCOP(=O)(COS(=O)(=O)CF)OCC
InChIInChI=1S/C6H14FO6PS/c1-3-11-14(8,12-4-2)6-13-15(9,10)5-7/h3-6H2,1-2H3
InChIKeyWDMDXDVANXOHSZ-UHFFFAOYSA-N
MW264.21 g/mol
LogP1.48
Rot. Bonds8

About diethoxyphosphorylmethyl fluoromethanesulfonate

diethoxyphosphorylmethyl fluoromethanesulfonate (PubChem CID 141114220) has the molecular formula C6H14FO6PS and a molecular weight of 264.21 g/mol. Its IUPAC name is diethoxyphosphorylmethyl fluoromethanesulfonate.

Molecular Properties

Compound Namediethoxyphosphorylmethyl fluoromethanesulfonate
PubChem CID141114220
Molecular FormulaC6H14FO6PS
Molecular Weight264.21 g/mol
Exact Mass264.02
IUPAC Namediethoxyphosphorylmethyl fluoromethanesulfonate
SMILESCCOP(=O)(COS(=O)(=O)CF)OCC
InChIInChI=1S/C6H14FO6PS/c1-3-11-14(8,12-4-2)6-13-15(9,10)5-7/h3-6H2,1-2H3
InChIKeyWDMDXDVANXOHSZ-UHFFFAOYSA-N
XLogP1.48
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethyl fluoromethanesulfonate?
The IUPAC name of diethoxyphosphorylmethyl fluoromethanesulfonate (CID 141114220) is diethoxyphosphorylmethyl fluoromethanesulfonate.
What is the SMILES notation for diethoxyphosphorylmethyl fluoromethanesulfonate?
The canonical SMILES for diethoxyphosphorylmethyl fluoromethanesulfonate is CCOP(=O)(COS(=O)(=O)CF)OCC.
What is the InChIKey of diethoxyphosphorylmethyl fluoromethanesulfonate?
The InChIKey is WDMDXDVANXOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO6PS/c1-3-11-14(8,12-4-2)6-13-15(9,10)5-7/h3-6H2,1-2H3.
What are the key properties of diethoxyphosphorylmethyl fluoromethanesulfonate?
diethoxyphosphorylmethyl fluoromethanesulfonate has a molecular weight of 264.21 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethyl fluoromethanesulfonate is sourced from PubChem (CID 141114220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).